LAMMPS

Software description

LAMMPS is a classical molecular dynamics code with a focus on materials modeling. It’s an acronym for Large-scale Atomic/Molecular Massively Parallel Simulator.

LAMMPS has potentials for solid-state materials (metals, semiconductors) and soft matter (biomolecules, polymers) and coarse-grained or mesoscopic systems. It can be used to model atoms or, more generically, as a parallel particle simulator at the atomic, meso, or continuum scale.

LAMMPS runs on single processors or in parallel using message-passing techniques and a spatial-decomposition of the simulation domain. Many of its models have versions that provide accelerated performance on CPUs, GPUs, and Intel Xeon Phis. The code is designed to be easy to modify or extend with new functionality.

Licensing

LAMMPS is distributed as an open source code under the terms of the GPLv2.

Homepage: www.lammps.org/

NSC documentation

Available Modules

2Aug2023-hpc2-gcc-11.3.0-bare

This is LAMMPS version 2 Aug 2023 (Stable release)

Load with:

[user@system ~]$ module load LAMMPS/2Aug2023-hpc2-gcc-11.3.0-bare

Config and build options

It was built with the build environment buildenv-gcc/11.3.0-bare

2Aug2023-hpc1-gcc-11.3.0-bare

This is LAMMPS version 2 Aug 2023 (patch release)

Load with:

[user@system ~]$ module load LAMMPS/2Aug2023-hpc1-gcc-11.3.0-bare

Config and build options

It was built with the build environment buildenv-gcc/11.3.0-bare

29Aug2024-hpc1-gcc-11.3.0-bare

This is LAMMPS version 29 Aug 2024 (Stable release)

Load with:

[user@system ~]$ module load LAMMPS/29Aug2024-hpc1-gcc-11.3.0-bare

Config and build options

It was built with the build environment buildenv-gcc/11.3.0-bare

22Aug18-hpc1-intel-2018b-eb

This is LAMMPS version 22 August 2018

Load with:

[user@system ~]$ module load LAMMPS/22Aug18-hpc1-intel-2018b-eb

Config and build options

It was built with the build environment buildenv-intel/2018b-eb.